tert-butyl (4S)-2,2-dimethyl-4-[(E)-5-(4-methylphenyl)sulfonyl-3-oxidanylidene-pent-1-enyl]-1,3-oxazolidine-3-carboxylate

Systemtic Name: tert-butyl (4S)-2,2-dimethyl-4-[(E)-5-(4-methylphenyl)sulfonyl-3-oxidanylidene-pent-1-enyl]-1,3-oxazolidine-3-carboxylate Openeye Name: tert-butyl (4S)-2,2-dimethyl-4-[(E)-3-oxo-5-(p-tolylsulfonyl)pent-1-enyl]oxazolidine-3-carboxylate CAS Name: (4S)-2,2-dimethyl-4-[(E)-5-(4-methylphenyl)sulfonyl-3-oxopent-1-enyl]-3-oxazolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (4S)-2,2-dimethyl-4-[(E)-5-(4-methylphenyl)sulfonyl-3-oxopent-1-enyl]-1,3-oxazolidine-3-carboxylate Traditional Name: (4S)-4-[(E)-3-keto-5-tosyl-pent-1-enyl]-2,2-dimethyl-oxazolidine-3-carboxylic acid tert-butyl ester Formula: C22H31NO6S MolecularWeight: 437.54964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)C=CC2COC(N2C(=O)OC(C)(C)C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)/C=C/[C@H]2COC(N2C(=O)OC(C)(C)C)(C)C

InChI

InChI=1S/C22H31NO6S/c1-16-7-11-19(12-8-16)30(26,27)14-13-18(24)10-9-17-15-28-22(5,6)23(17)20(25)29-21(2,3)4/h7-12,17H,13-15H2,1-6H3/b10-9+/t17-/m0/s1